Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3

Correlated frequency‐dependent polarizabilities are calculated for the molecules HF, H2O, NH3, and CO by the use of a many‐body perturbation theory method, to second order in the correlation potential. We computed from these polarizabilities the dispersion coefficients Cn, up to n=10, for all the dimers consisting of these molecules and for all their combinations with He, Ne, H2, and N2 for which the polarizabilities were calculated previously. The results are compared with (semi‐) empirical and theoretical values from literature as far as possible.

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